Research workbench
Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 complexed with compound CS319
Analyse Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4NQ5
- Type
- protein
- Length
- 215 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.29
- Source
- Bacillus cereus
- Molecule
- Beta-lactamase 2
- EC
- 3.5.2.6
- UniProt
- P04190
- Ligands
- 3C7, ZN, K
- Pockets
- 1 · best druggability 0.28
Structure
x-ray diffraction · resolution 2.29 · 1 distinct chain · 27% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase 2 (EC 3.5.2.6) | protein | 215 | 27% helix, 33% strand | P04190 |
Ligands and binding sites
- 3C7 · (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
- K · Potassium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 60 | 0.28 | 0.74 | 18 | 3C7 |
Compared structures
- 4NQ5 · Bacillus cereus zn-dependent metallo-beta-lactamase at pH 7 complexed with compound CS319 · the same entry in another collection · chain A against A, TM-score 1.00
- P04190 · AlphaFold monomer V2.0 prediction for metallo-beta-lactamase type 2 (P04190) · a predicted model of the same protein · chain A against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P04190
- Elsewhere: RCSB PDB 4NQ5 · PDBe 4NQ5 · UniProt P04190
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